CID 46876

64049-32-7

Structural Information

Molecular Formula
C7H12I2N2O3
SMILES
C(C(CNC(=O)CI)O)NC(=O)CI
InChI
InChI=1S/C7H12I2N2O3/c8-1-6(13)10-3-5(12)4-11-7(14)2-9/h5,12H,1-4H2,(H,10,13)(H,11,14)
InChIKey
QDJFCVLFAFASNE-UHFFFAOYSA-N
Compound name
N-[2-hydroxy-3-[(2-iodoacetyl)amino]propyl]-2-iodoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.89374 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.90102 170.0
[M+Na]+ 448.88296 160.1
[M-H]- 424.88646 158.2
[M+NH4]+ 443.92756 176.6
[M+K]+ 464.85690 171.1
[M+H-H2O]+ 408.89100 158.1
[M+HCOO]- 470.89194 180.0
[M+CH3COO]- 484.90759 209.9
[M+Na-2H]- 446.86841 153.3
[M]+ 425.89319 164.5
[M]- 425.89429 164.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.